SCHEMBL19981145

SCHEMBL19981145

NC(=O)C[C@H](NS(=O)(=O)C1CC1)c1nc(-c2cnccn2)no1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.49
PDF Q9HBH1 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.37
CTPS1 P17812 5/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19981138 0.91 BMP1 (0.49) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981147 0.86 BMP1 (0.51) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981238 0.83 BMP1 (0.42) BMP1DPP4CTPS1
SCHEMBL19981270 0.83 BMP1 (0.40) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981308 0.80 BMP1 (0.39) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981246 0.79 BMP1 (0.40) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981135 0.79 BMP1 (0.45) BMP1DPP4DPP7CTPS1TDP1
SCHEMBL19981329 0.78 VSIR (0.44) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981159 0.76 DPP4 (0.38) DPP4DPP7KCNH2
SCHEMBL18078059 0.76 BMP1 (0.46) BMP1PDFDPP4DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed